1,3-Cyclohexanedione, 5,5-dimethyl-2-nitro-
TL;DR: 1,3-Cyclohexanedione, 5,5-dimethyl-2-nitro- (CAS 37862-17-2) is a chemical compound with molecular formula C8H11NO4 and molecular weight 185.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethyl-2-nitrocyclohexane-1,3-dione
Also Known As: Nitromethon, 5,5-dimethyl-2-nitrocyclohexane-1,3-dione, 1,3-Cyclohexanedione, 5,5-dimethyl-2-nitro-, 5,5-dimethyl-2-nitro-cyclohexane-1,3-dione, 2-Nitro-5,5-dimethyl-cyclohexan-1,3-dion
| Molecular Formula | C8H11NO4 |
|---|---|
| Molecular Weight | 185.07 g/mol |
| LogP | 0.5899 |
| Topological Polar Surface Area | 77.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 185.0688 |
| Heavy Atoms | 13 |
| Complexity | 261.86862 |
Chemical Identifiers
| CAS Number | 37862-17-2 |
|---|---|
| SMILES | CC1(CC(=O)C(C(=O)C1)[N+](=O)[O-])C |
Product Overview
1,3-Cyclohexanedione, 5,5-dimethyl-2-nitro- (CAS 37862-17-2), with molecular formula C8H11NO4 and molecular weight 185.07 g/mol. IUPAC: 5,5-dimethyl-2-nitrocyclohexane-1,3-dione.
Chemical Property Profile of 1,3-Cyclohexanedione, 5,5-dimethyl-2-nitro-
Property Insights of 1,3-Cyclohexanedione, 5,5-dimethyl-2-nitro-
The XLogP value of 0.5899 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Cyclohexanedione, 5,5-dimethyl-2-nitro-. The TPSA of 77.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Cyclohexanedione, 5,5-dimethyl-2-nitro-. Following Lipinski's Rule of Five, 1,3-Cyclohexanedione, 5,5-dimethyl-2-nitro- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Cyclohexanedione, 5,5-dimethyl-2-nitro-?
The CAS number of 1,3-Cyclohexanedione, 5,5-dimethyl-2-nitro- is 37862-17-2.
What is the molecular formula of 1,3-Cyclohexanedione, 5,5-dimethyl-2-nitro-?
The molecular formula of 1,3-Cyclohexanedione, 5,5-dimethyl-2-nitro- is C8H11NO4.
What is the molecular weight of 1,3-Cyclohexanedione, 5,5-dimethyl-2-nitro-?
The molecular weight of 1,3-Cyclohexanedione, 5,5-dimethyl-2-nitro- is 185.07 g/mol.
Where can I buy 1,3-Cyclohexanedione, 5,5-dimethyl-2-nitro-?
You can request a quote for 1,3-Cyclohexanedione, 5,5-dimethyl-2-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Cyclohexanedione, 5,5-dimethyl-2-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Cyclohexanedione, 5,5-dimethyl-2-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.